BDBM45631 (4-{[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}phenyl)acetic acid::2-[4-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoylamino]phenyl]acetic acid::2-[4-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]acetic acid::2-[4-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]phenyl]ethanoic acid::2-[4-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]phenyl]acetic acid::MLS000862527::SMR000300567::cid_1262374

SMILES OC(=O)Cc1ccc(NC(=O)CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1

InChI Key InChIKey=YADQMOCGCHWYFL-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45631   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45631(2-[4-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopro...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay